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	hartrees
Energy at 0K	-628.042034
Energy at 298.15K
HF Energy	-628.042034
Nuclear repulsion energy	270.863553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3084	0.00
2	A₁	3082	2964	1.65
3	A₁	1425	1371	3.75
4	A₁	1314	1264	19.37
5	A₁	1126	1083	158.89
6	A₁	991	953	0.54
7	A₁	674	649	11.21
8	A₁	461	444	25.89
9	A₁	262	252	2.41
10	A₂	3210	3088	0.00
11	A₂	1414	1361	0.00
12	A₂	903	869	0.00
13	A₂	277	266	0.00
14	A₂	175	168	0.00
15	B₁	3214	3091	0.52
16	B₁	1432	1378	8.16
17	B₁	1316	1265	213.36
18	B₁	966	929	0.90
19	B₁	338	325	0.72
20	B₁	207	199	0.69
21	B₂	3205	3083	1.94
22	B₂	3080	2962	0.04
23	B₂	1414	1360	7.80
24	B₂	1295	1246	13.83
25	B₂	925	890	72.80
26	B₂	732	704	46.15
27	B₂	433	416	38.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.286	0.000	0.917
O3	1.286	0.000	0.917
C4	0.000	1.411	-0.920
C5	0.000	-1.411	-0.920
H6	0.000	2.290	-0.262
H7	0.000	-2.290	-0.262
H8	0.911	1.395	-1.532
H9	-0.911	1.395	-1.532
H10	-0.911	-1.395	-1.532
H11	0.911	-1.395	-1.532

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4781	1.4781	1.7945	1.7945	2.3339	2.3339	2.3951	2.3951	2.3951	2.3951
O2	1.4781		2.5721	2.6497	2.6497	2.8790	2.8790	3.5736	2.8437	2.8437	3.5736
O3	1.4781	2.5721		2.6497	2.6497	2.8790	2.8790	2.8437	3.5736	3.5736	2.8437
C4	1.7945	2.6497	2.6497		2.8220	1.0981	3.7590	1.0972	1.0972	3.0129	3.0129
C5	1.7945	2.6497	2.6497	2.8220		3.7590	1.0981	3.0129	3.0129	1.0972	1.0972
H6	2.3339	2.8790	2.8790	1.0981	3.7590		4.5799	1.8008	1.8008	4.0027	4.0027
H7	2.3339	2.8790	2.8790	3.7590	1.0981	4.5799		4.0027	4.0027	1.8008	1.8008
H8	2.3951	3.5736	2.8437	1.0972	3.0129	1.8008	4.0027		1.8210	3.3319	2.7902
H9	2.3951	2.8437	3.5736	1.0972	3.0129	1.8008	4.0027	1.8210		2.7902	3.3319
H10	2.3951	2.8437	3.5736	3.0129	1.0972	4.0027	1.8008	3.3319	2.7902		1.8210
H11	2.3951	3.5736	2.8437	3.0129	1.0972	4.0027	1.8008	2.7902	3.3319	1.8210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.015	S1	C4	H8	109.467
S1	C4	H9	109.467	S1	C5	H7	105.015
S1	C5	H10	109.467	S1	C5	H11	109.467
O2	S1	O3	120.936	O2	S1	C4	107.732
O2	S1	C5	107.732	O3	S1	C4	107.732
O3	S1	C5	107.732	C4	S1	C5	103.675
H6	C4	H8	110.235	H6	C4	H9	110.235
H7	C5	H10	110.235	H7	C5	H11	110.235
H8	C4	H9	112.172	H10	C5	H11	112.172

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	0.750
2	O	-0.467
3	O	-0.467
4	C	-0.190
5	C	-0.190
6	H	0.108
7	H	0.108
8	H	0.087
9	H	0.087
10	H	0.087
11	H	0.087

<r²>	129.020
(<r²>)^1/2	11.359

All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)